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ROZ

Summary
Name:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
Formula:C18 H14 Cl N3 O2
Formal charge:0
Formula weight:339.776 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
OpenEye OEToolkits2.0.74-[2-(3-chlorophenyl)ethanoylamino]isoquinoline-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O
InChIInChI1.06InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23)
InChIKeyInChI1.06IODVSEDZYFGXPU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385NC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)C(=O)N
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)C(=O)N

225946

PDB entries from 2024-10-09

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